SCHEMBL7936398

SCHEMBL7936398

Cc1ccc(-n2nnnc2SCc2ccccc2C(F)(F)F)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 9/20 0.53
TSHR P16473 6/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
USP2 O75604 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
HTT P42858 4/20 0.51
PKM P14618 2/20 0.51
STAT3 P40763 1/20 0.51
ALDH1A1 P00352 12/20 0.49
GAA P10253 2/20 0.48
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP3A4 P08684 1/20 0.45
RECQL P46063 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12225965 0.80 KMT2A (0.44) TSHRSMN1; SMN2NPSR1HTTALDH1A1
SCHEMBL2538104 0.74 MEN1 (0.58) LMNATSHRSMN1; SMN2USP2NPSR1
SCHEMBL7924131 0.74 ALDH1A1 (0.62) LMNATSHRSMN1; SMN2USP2NPSR1
SCHEMBL2533708 0.72 MAPT (0.64) LMNATSHRSMN1; SMN2USP2NPSR1
SCHEMBL7935215 0.71 ALDH1A1 (0.61) LMNATSHRSMN1; SMN2USP2NPSR1
SCHEMBL1611721 0.71 LMNA (0.76) LMNATSHRSMN1; SMN2USP2NPSR1
SCHEMBL19248206 0.70 LMNA (0.71) LMNATSHRSMN1; SMN2USP2NPSR1
SCHEMBL7936741 0.70 ALDH1A1 (0.54) LMNATSHRSMN1; SMN2USP2NPSR1
SCHEMBL2534486 0.70 ALDH1A1 (0.64) LMNATSHRSMN1; SMN2USP2NPSR1
SCHEMBL2530971 0.69 KMT2A (0.58) LMNATSHRSMN1; SMN2USP2NPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010034003-A2 BENZYLTHIOTETRAZOLE INHIBITORS OF STORE OPERATED CALCIUM RELEASE CALCIMEDICA, INC. (US) 2010-03-25 WO disclosed